SCHEMBL7912847

SCHEMBL7912847

Cc1ccc(-c2ccc(CCc3ccc(C4CCC(CCCF)CC4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.39
ESR2 Q92731 2/20 0.37
MAOB P27338 1/20 0.36
CYP2C9 P11712 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
SPHK2 Q9NRA0 7/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7912843 1.00 SPHK1 (0.39) SPHK1ESR2MAOBCYP2C9DGAT1
SCHEMBL7912910 0.89 SPHK1 (0.45) SPHK1ESR2CYP2C9SPHK2ALDH1A1
SCHEMBL7912914 0.89 SPHK1 (0.45) SPHK1ESR2CYP2C9SPHK2ALDH1A1
SCHEMBL7902461 0.89 ESR2 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7902472 0.89 ESR2 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7902466 0.89 ESR2 (0.39) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL7910052 0.87 FFAR4 (0.35) SPHK1MAOBCYP1A2CYP2A6TAAR1
SCHEMBL7910046 0.87 FFAR4 (0.35) SPHK1MAOBCYP1A2CYP2A6TAAR1
SCHEMBL7910943 0.85 SPHK1 (0.41) SPHK1ESR2CYP2C9SPHK2ALDH1A1
SCHEMBL7910947 0.85 SPHK1 (0.41) SPHK1ESR2CYP2C9SPHK2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed